2-Metossifenetilammina - ≥98%(GC) , CAS No.2045-79-6

CAS: 2045-79-6 Cat. No.: M132548 Formula: C₉H₁₃NO Peso molecolare: 151.21 Numero EC: 218-066-6

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000200579 | DTXSID00174412 | 2-((1H-benzo[d]imidazol-2-il)tio)acetato di etile | J-509871 | MFCD00136425 | 2-metossifenetilammina | AM20030306 | 2-metossifenetilammina | Benzeneetanamina, 2-metossi- | 2-(2-metossifenil)etilammina | M0844 | UNII-A8

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

Viene anche chiamata o-metossifenetilammina. Il comportamento di distribuzione di tiramina e MPEA nel sistema [bmim][PF6]/acqua (bmim = 1-butil-3-metilimidazolio esafluorofosfato) è stato valutato in diverse condizioni.

Specifications

Sinonimi

AKOS000200579 | DTXSID00174412 | 2-((1H-benzo[d]imidazol-2-il)tio)acetato di etile | J-509871 | MFCD00136425 | 2-metossifenetilammina | AM20030306 | 2-metossifenetilammina | Benzeneetanamina, 2-metossi- | 2-(2-metossifenil)etilammina | M0844 | UNII-A8

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504754884
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754884
• Sorrisi canonici: COC1=CC=CC=C1CCN
• IUPAC Name: 2-(2-methoxyphenyl)ethanamine
• InChIKey: WSWPCNMLEVZGSM-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
• Isomeri SMILES: COC1=CC=CC=C1CCN
• WGK Germania: 3
• Numero UN: 3267
• Gruppo di imballaggio: II
• Peso molecolare: 151.21
• Reaxy-Rn: 775810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenoxy compound - Anisole - 2-arylethylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.54
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 236-237°C
• Peso molecolare: 151.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Wenzhen Lv, Yebo Cai, Yang Wang, Chengxi Sun, Xiangyu Chen, Siyu Liu, Chaofei Han, Ying Tang, Ligang Xu, Dongqing Lin, Runfeng Chen.  (2024)  Organic Room-Temperature Phosphorescence of Layered Organic Ammonium Chloride via Layer-By-Layer Assembly.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c01352]

Domande frequenti

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2045-79-6, the molecular formula is C9H13NO, and the molecular weight is 151.21 g/mol. InChIKey WSWPCNMLEVZGSM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.